1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide

C23H23N5O — CID 99817337

IUPAC1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide
SMILESCc1ccccc1-c1cc(NC(=O)c2cnn(Cc3ccccc3)c2C)n(C)n1
InChIInChI=1S/C23H23N5O/c1-16-9-7-8-12-19(16)21-13-22(27(3)26-21)25-23(29)20-14-24-28(17(20)2)15-18-10-5-4-6-11-18/h4-14H,15H2,1-3H3,(H,25,29)
InChIKeyYETKLZRVVYTTFT-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.20
Rot. Bonds5

About 1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide

1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide (PubChem CID 99817337) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide
PubChem CID99817337
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide
SMILESCc1ccccc1-c1cc(NC(=O)c2cnn(Cc3ccccc3)c2C)n(C)n1
InChIInChI=1S/C23H23N5O/c1-16-9-7-8-12-19(16)21-13-22(27(3)26-21)25-23(29)20-14-24-28(17(20)2)15-18-10-5-4-6-11-18/h4-14H,15H2,1-3H3,(H,25,29)
InChIKeyYETKLZRVVYTTFT-UHFFFAOYSA-N
XLogP4.20
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2S)-2-methoxy-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide (CID 99817337) is 1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide is Cc1ccccc1-c1cc(NC(=O)c2cnn(Cc3ccccc3)c2C)n(C)n1.
What is the InChIKey of 1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide?
The InChIKey is YETKLZRVVYTTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16-9-7-8-12-19(16)21-13-22(27(3)26-21)25-23(29)20-14-24-28(17(20)2)15-18-10-5-4-6-11-18/h4-14H,15H2,1-3H3,(H,25,29).
What are the key properties of 1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide?
1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 99817337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).